1-(3-methyloctan-4-yloxy)propan-2-ol

C12H26O2 — CID 142712331

IUPAC1-(3-methyloctan-4-yloxy)propan-2-ol
SMILESCCCCC(OCC(C)O)C(C)CC
InChIInChI=1S/C12H26O2/c1-5-7-8-12(10(3)6-2)14-9-11(4)13/h10-13H,5-9H2,1-4H3
InChIKeyPBRIHUNXEBTHHT-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.99
Rot. Bonds8

About 1-(3-methyloctan-4-yloxy)propan-2-ol

1-(3-methyloctan-4-yloxy)propan-2-ol (PubChem CID 142712331) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-(3-methyloctan-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-methyloctan-4-yloxy)propan-2-ol
PubChem CID142712331
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-(3-methyloctan-4-yloxy)propan-2-ol
SMILESCCCCC(OCC(C)O)C(C)CC
InChIInChI=1S/C12H26O2/c1-5-7-8-12(10(3)6-2)14-9-11(4)13/h10-13H,5-9H2,1-4H3
InChIKeyPBRIHUNXEBTHHT-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,7-dimethyloctan-4-yloxy)propan-2-ol
CID 142712664
1-(2,5-dimethylheptan-4-yloxy)propan-2-ol
CID 142712627
1-(2-methylpentan-3-yloxy)propan-2-ol
CID 142712408
butan-2-ol;pentane
CID 87560104
3-(2-ethylhexoxy)hexane-2,5-diol
CID 123693494
1-heptan-4-yloxypropan-2-ol
CID 140681787
2-(2-hydroxypropoxy)hexan-3-ol
CID 22507183
[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate
CID 93482323
hexan-2-ol;zirconium
CID 174835617
10,13-dihydroxy-9,12-bis(2-hydroxypropoxy)octadecanoic acid
CID 176816174
hexan-2-ol;pentan-2-ol
CID 88680973
(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
CID 118964156

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloctan-4-yloxy)propan-2-ol?
The IUPAC name of 1-(3-methyloctan-4-yloxy)propan-2-ol (CID 142712331) is 1-(3-methyloctan-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-(3-methyloctan-4-yloxy)propan-2-ol?
The canonical SMILES for 1-(3-methyloctan-4-yloxy)propan-2-ol is CCCCC(OCC(C)O)C(C)CC.
What is the InChIKey of 1-(3-methyloctan-4-yloxy)propan-2-ol?
The InChIKey is PBRIHUNXEBTHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-7-8-12(10(3)6-2)14-9-11(4)13/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-(3-methyloctan-4-yloxy)propan-2-ol?
1-(3-methyloctan-4-yloxy)propan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloctan-4-yloxy)propan-2-ol is sourced from PubChem (CID 142712331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).